2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC4=CC=CC=C4CC3C(=O)NC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC4=CC=CC=C4CC3C(=O)NC)C

InChI

InChI=1S/C25H31N3O4S/c1-17-8-9-22(14-18(17)2)33(31,32)27-12-10-19(11-13-27)25(30)28-16-21-7-5-4-6-20(21)15-23(28)24(29)26-3/h4-9,14,19,23H,10-13,15-16H2,1-3H3,(H,26,29)